3-amino-4-(butylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-amino-4-(butylamino)-2H-1-benzopyran-2-one
3-amino-4-(butylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0042 |
| Compound Name: | 3-amino-4-(butylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 232.28 |
| Molecular Formula: | C13 H16 N2 O2 |
| Smiles: | CCCCNC1=C(C(=O)Oc2ccccc12)N |
| Stereo: | ACHIRAL |
| logP: | 1.9131 |
| logD: | 0.5435 |
| logSw: | -2.7782 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 52.814 |
| InChI Key: | IBRXTMRWTXOILF-UHFFFAOYSA-N |